COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       5.229   1.600  -2.415  1.00  0.00           F  
HETATM    2  C   UNL     1       4.285   2.123  -1.603  1.00  0.00           C  
HETATM    3  C   UNL     1       3.602   3.267  -1.980  1.00  0.00           C  
HETATM    4  C   UNL     1       2.633   3.798  -1.151  1.00  0.00           C  
HETATM    5  C   UNL     1       2.345   3.188   0.056  1.00  0.00           C  
HETATM    6  C   UNL     1       3.995   1.512  -0.394  1.00  0.00           C  
HETATM    7  C   UNL     1       3.026   2.046   0.434  1.00  0.00           C  
HETATM    8  S   UNL     1       2.658   1.270   1.973  1.00  0.00           S  
HETATM    9  O   UNL     1       3.814   0.525   2.333  1.00  0.00           O  
HETATM   10  O   UNL     1       2.090   2.273   2.803  1.00  0.00           O  
HETATM   11  N   UNL     1       1.459   0.163   1.689  1.00  0.00           N  
HETATM   12  C   UNL     1       1.675  -0.890   0.792  1.00  0.00           C  
HETATM   13  C   UNL     1       2.923  -1.476   0.702  1.00  0.00           C  
HETATM   14  C   UNL     1       3.135  -2.528  -0.195  1.00  0.00           C  
HETATM   15  C   UNL     1       4.465  -3.156  -0.294  1.00  0.00           C  
HETATM   16  O   UNL     1       5.377  -2.761   0.403  1.00  0.00           O  
HETATM   17  O   UNL     1       4.668  -4.170  -1.159  1.00  0.00           O  
HETATM   18  C   UNL     1       2.085  -2.982  -0.997  1.00  0.00           C  
HETATM   19  C   UNL     1       0.842  -2.394  -0.904  1.00  0.00           C  
HETATM   20  C   UNL     1       0.627  -1.353  -0.009  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.632  -0.766   0.086  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.006  -0.114  -1.177  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.357   0.585  -1.007  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.645  -1.753   0.485  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.996  -1.055   0.655  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.369  -0.403  -0.608  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.633   0.186  -0.512  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.732  -0.581  -0.147  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.980   0.005  -0.053  1.00  0.00           C  
HETATM   30 CL   UNL     1      -8.355  -0.951   0.404  1.00  0.00          Cl  
HETATM   31  C   UNL     1      -7.135   1.354  -0.323  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.042   2.119  -0.687  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.791   1.540  -0.778  1.00  0.00           C  
HETATM   34  H   UNL     1       3.828   3.744  -2.922  1.00  0.00           H  
HETATM   35  H   UNL     1       2.100   4.690  -1.445  1.00  0.00           H  
HETATM   36  H   UNL     1       1.587   3.603   0.704  1.00  0.00           H  
HETATM   37  H   UNL     1       4.524   0.618  -0.100  1.00  0.00           H  
HETATM   38  H   UNL     1       0.606   0.245   2.145  1.00  0.00           H  
HETATM   39  H   UNL     1       3.733  -1.122   1.323  1.00  0.00           H  
HETATM   40  H   UNL     1       5.556  -4.550  -1.189  1.00  0.00           H  
HETATM   41  H   UNL     1       2.247  -3.794  -1.690  1.00  0.00           H  
HETATM   42  H   UNL     1       0.032  -2.746  -1.525  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.247   0.621  -1.445  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.080  -0.863  -1.965  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.275   1.353  -0.238  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.650   1.044  -1.951  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.727  -2.522  -0.284  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.352  -2.213   1.429  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.754  -1.790   0.923  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.921  -0.306   1.444  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.611  -1.633   0.064  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.111   1.810  -0.249  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.166   3.171  -0.897  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.938   2.139  -1.059  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    6    1                                       
CONECT    3    4    2    2   34                                       
CONECT    4    5    5    3   35                                       
CONECT    5    4    4    7   36                                       
CONECT    6    7    7    2   37                                       
CONECT    7    5    8    6    6                                       
CONECT    8    9    9   10   10                                       
CONECT    8    7   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   38                                            
CONECT   12   11   13   13   20                                       
CONECT   13   12   12   14   39                                       
CONECT   14   13   15   18   18                                       
CONECT   15   16   16   14   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   40                                                 
CONECT   18   14   14   19   41                                       
CONECT   19   20   20   18   42                                       
CONECT   20   12   21   19   19                                       
CONECT   21   20   22   24                                            
CONECT   22   23   21   43   44                                       
CONECT   23   22   26   45   46                                       
CONECT   24   21   25   47   48                                       
CONECT   25   24   26   49   50                                       
CONECT   26   23   27   25                                            
CONECT   27   26   33   33   28                                       
CONECT   28   27   29   29   51                                       
CONECT   29   28   28   31   30                                       
CONECT   30   29                                                      
CONECT   31   32   32   29   52                                       
CONECT   32   33   31   31   53                                       
CONECT   33   27   27   32   54                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   28                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
